SCHEMBL21943907

SCHEMBL21943907

Nc1ncnc2c1ccn2[C@H]1C[C@H](O[PH](=O)S)[C@@H](COP(=O)(S)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.43
▸ F2 P00734 1/20 0.40
▸ DTYMK P23919 4/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RNASEL Q05823 1/20 0.37
▸ DNPH1 O43598 1/20 0.37
▸ PRKAB2 O43741 1/20 0.37
▸ TRPM2 O94759 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20327051 0.90 RNASEL (0.43) STING1DTYMKP2RX3RNASEL
SCHEMBL21942809 0.89 STING1 (0.42) STING1F2P2RX3RNASELADORA1
SCHEMBL25812652 0.86 F2 (0.49) STING1F2P2RX3ALDH1A1LMNA
SCHEMBL23619311 0.86 F2 (0.49) STING1F2P2RX3ALDH1A1LMNA
SCHEMBL18521846 0.85 NT5E (0.49) STING1P2RX3RNASELDNPH1PRKAB2
SCHEMBL22083413 0.84 F2 (0.50) STING1F2DTYMK
SCHEMBL22072413 0.84 F2 (0.50) STING1F2DTYMK
SCHEMBL23619368 0.84 NT5E (0.42) STING1DTYMKRNASELDNPH1PRKAB2
SCHEMBL18521716 0.83 STING1 (0.47) STING1F2P2RY2
SCHEMBL18521418 0.83 F2 (0.54) STING1F2DTYMKP2RY2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS STING1 1/4885F2 4851/4885DTYMK 28/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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